Molecule

ID:41714

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈O₂
Molecular Mass
242.31292
Exact Mass
242.13067982
Charge
0
InChI
InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKey
FZALPKMIIYFLAP-UHFFFAOYSA-N
Canonic Smiles
OCCCc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)CCCO)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.963386
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5059278
LogD (pH = 7.4)
3.5059278
Log P
3.5059278
Molar Refractivity
73.3057
Polarizability
28.52414
Polar Surface Area
29.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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